N-methyl-1-[1-(oxolan-3-yl)ethyl]piperazine-2-carboxamide

C12H23N3O2 — CID 113483594

IUPACN-methyl-1-[1-(oxolan-3-yl)ethyl]piperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1C(C)C1CCOC1
InChIInChI=1S/C12H23N3O2/c1-9(10-3-6-17-8-10)15-5-4-14-7-11(15)12(16)13-2/h9-11,14H,3-8H2,1-2H3,(H,13,16)
InChIKeyDGHROGBXLLVYJP-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.57
Rot. Bonds3

About N-methyl-1-[1-(oxolan-3-yl)ethyl]piperazine-2-carboxamide

N-methyl-1-[1-(oxolan-3-yl)ethyl]piperazine-2-carboxamide (PubChem CID 113483594) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-methyl-1-[1-(oxolan-3-yl)ethyl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[1-(oxolan-3-yl)ethyl]piperazine-2-carboxamide
PubChem CID113483594
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-methyl-1-[1-(oxolan-3-yl)ethyl]piperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1C(C)C1CCOC1
InChIInChI=1S/C12H23N3O2/c1-9(10-3-6-17-8-10)15-5-4-14-7-11(15)12(16)13-2/h9-11,14H,3-8H2,1-2H3,(H,13,16)
InChIKeyDGHROGBXLLVYJP-UHFFFAOYSA-N
XLogP-0.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclopropylpropanoyl)-N-methylpiperazine-2-carboxamide
CID 83149686
N-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazine-2-carboxamide
CID 116535670
1-[1-(dimethylcarbamoyl)piperidin-4-yl]-N-methylpiperazine-2-carboxamide
CID 83268512
N-methyl-4-(2-piperazin-1-ylpropanoyl)morpholine-3-carboxamide
CID 83103255
1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride
CID 171688200
N-methyl-1-(3-methylcyclobutyl)piperazine-2-carboxamide
CID 103563766
N-methyl-1-[(2R)-oxolane-2-carbonyl]piperazine-2-carboxamide
CID 104856345
1-[1-(oxolan-3-yl)ethyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678173
N-methyl-1,4-oxazepane-6-carboxamide
CID 66510045
methyl N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxo-1-(oxolan-3-yl)ethyl]carbamate
CID 67612069
N-methyl-1-(oxan-4-yl)-1-piperazin-1-ylmethanamine
CID 116954862
4-(1-hydrazinyl-1-oxopropan-2-yl)-N-methylmorpholine-3-carboxamide
CID 83105404

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(oxolan-3-yl)ethyl]piperazine-2-carboxamide?
The IUPAC name of N-methyl-1-[1-(oxolan-3-yl)ethyl]piperazine-2-carboxamide (CID 113483594) is N-methyl-1-[1-(oxolan-3-yl)ethyl]piperazine-2-carboxamide.
What is the SMILES notation for N-methyl-1-[1-(oxolan-3-yl)ethyl]piperazine-2-carboxamide?
The canonical SMILES for N-methyl-1-[1-(oxolan-3-yl)ethyl]piperazine-2-carboxamide is CNC(=O)C1CNCCN1C(C)C1CCOC1.
What is the InChIKey of N-methyl-1-[1-(oxolan-3-yl)ethyl]piperazine-2-carboxamide?
The InChIKey is DGHROGBXLLVYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9(10-3-6-17-8-10)15-5-4-14-7-11(15)12(16)13-2/h9-11,14H,3-8H2,1-2H3,(H,13,16).
What are the key properties of N-methyl-1-[1-(oxolan-3-yl)ethyl]piperazine-2-carboxamide?
N-methyl-1-[1-(oxolan-3-yl)ethyl]piperazine-2-carboxamide has a molecular weight of 241.33 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(oxolan-3-yl)ethyl]piperazine-2-carboxamide is sourced from PubChem (CID 113483594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).